Molecule

ID:60545

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂OS
Molecular Mass
240.70926
Exact Mass
240.0124116
Charge
0
InChI
InChI=1S/C10H9ClN2OS/c11-6-5-9(14)13-10-12-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13,14)
InChIKey
BDRXIJMJSBTEBN-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)NC(=O)CCCl
Calculated Properties
JChem
Acid pKa
10.721492
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8097858
LogD (pH = 7.4)
2.809592
Log P
2.8097887
Molar Refractivity
60.9176
Polarizability
24.187294
Polar Surface Area
41.99
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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